Binding information for 4kni_ligand_frag_5.mol2(FDBF07315)
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4kni_ligand_frag_5.mol2 | 4kni | 0.612245 | -5.87 | c1nc(cc(n1)C)C | 8 |
Structure and binding mode of 4kni_ligand_frag_5.mol2(FDBF07315)
Important binding residues for 4kni_ligand_frag_5.mol2(FDBF07315)
| PDBID | RESIDUE | ΔEvdw | ΔEele | ΔEgas | ΔEsolv | ΔEgb |
|---|---|---|---|---|---|---|
| 4kni | PHE131 | -2.09 | 0.27 | -1.82 | 0.13 | -1.69 |
